(6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C21H22N2S — CID 132578542

IUPAC(6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)C[C@@H]1CN2C(=N1)SC(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C21H22N2S/c1-15(2)13-18-14-23-19(16-9-5-3-6-10-16)20(24-21(23)22-18)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3/t18-/m1/s1
InChIKeyRATRWXQTMWKSPA-GOSISDBHSA-N
MW334.49 g/mol
LogP5.35
Rot. Bonds4

About (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

(6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 132578542) has the molecular formula C21H22N2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID132578542
Molecular FormulaC21H22N2S
Molecular Weight334.49 g/mol
Exact Mass334.15
IUPAC Name(6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)C[C@@H]1CN2C(=N1)SC(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C21H22N2S/c1-15(2)13-18-14-23-19(16-9-5-3-6-10-16)20(24-21(23)22-18)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3/t18-/m1/s1
InChIKeyRATRWXQTMWKSPA-GOSISDBHSA-N
XLogP5.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 132578542) is (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC(C)C[C@@H]1CN2C(=N1)SC(c1ccccc1)=C2c1ccccc1.
What is the InChIKey of (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is RATRWXQTMWKSPA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N2S/c1-15(2)13-18-14-23-19(16-9-5-3-6-10-16)20(24-21(23)22-18)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
(6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 334.49 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 132578542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).